1-(3-bromophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone

C16H11BrN2O3 — CID 8569592

IUPAC1-(3-bromophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
SMILESO=C(COc1ccc(-c2nnco2)cc1)c1cccc(Br)c1
InChIInChI=1S/C16H11BrN2O3/c17-13-3-1-2-12(8-13)15(20)9-21-14-6-4-11(5-7-14)16-19-18-10-22-16/h1-8,10H,9H2
InChIKeyOBDRDFPFSAOONZ-UHFFFAOYSA-N
MW359.18 g/mol
LogP3.76
Rot. Bonds5

About 1-(3-bromophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone

1-(3-bromophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone (PubChem CID 8569592) has the molecular formula C16H11BrN2O3 and a molecular weight of 359.18 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
PubChem CID8569592
Molecular FormulaC16H11BrN2O3
Molecular Weight359.18 g/mol
Exact Mass358.00
IUPAC Name1-(3-bromophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
SMILESO=C(COc1ccc(-c2nnco2)cc1)c1cccc(Br)c1
InChIInChI=1S/C16H11BrN2O3/c17-13-3-1-2-12(8-13)15(20)9-21-14-6-4-11(5-7-14)16-19-18-10-22-16/h1-8,10H,9H2
InChIKeyOBDRDFPFSAOONZ-UHFFFAOYSA-N
XLogP3.76
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.18
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzodioxol-5-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
CID 8528159
4-[2-(3-bromophenyl)-2-oxoethoxy]benzamide
CID 7931631
2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556131
2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-1-(2,4,5-trimethylphenyl)ethanone
CID 4826899
1-(3-bromophenyl)-2-(4-tert-butylphenoxy)ethanone
CID 43412138
1-(3-bromophenyl)-2-naphthalen-2-yloxyethanone
CID 43413547
[2-(3-bromophenyl)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 23856812
2-[4-(2-methylprop-2-enoxy)phenyl]-1,3,4-oxadiazole
CID 71944586
ethyl 2,5-dimethyl-4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]-1H-pyrrole-3-carboxylate
CID 7555934
2-[3-(1,3,4-oxadiazol-2-yl)phenoxy]acetic acid
CID 39103097
N-(4-bromo-3-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556162
3-[2-(3-bromophenyl)-2-oxoethoxy]benzonitrile
CID 60624033

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone?
The IUPAC name of 1-(3-bromophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone (CID 8569592) is 1-(3-bromophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone.
What is the SMILES notation for 1-(3-bromophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone?
The canonical SMILES for 1-(3-bromophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone is O=C(COc1ccc(-c2nnco2)cc1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone?
The InChIKey is OBDRDFPFSAOONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O3/c17-13-3-1-2-12(8-13)15(20)9-21-14-6-4-11(5-7-14)16-19-18-10-22-16/h1-8,10H,9H2.
What are the key properties of 1-(3-bromophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone?
1-(3-bromophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone has a molecular weight of 359.18 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone is sourced from PubChem (CID 8569592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).